| CAS Number | 1016837-97-0 |
| Catalog Number | AG01AAM6(AGN-PC-0WQWJF) |
| Chemical Name | 2-Methoxypyridine-3-carbothioamide |
| IUPAC Name | 2-methoxypyridine-3-carbothioamide |
| InChI | InChI=1S/C7H8N2OS/c1-10-7-5(6(8)11)3-2-4-9-7/h2-4H,1H3,(H2,8,11) |
| InChI Key | WOJRRQJVEUOFHM-UHFFFAOYSA-N |
| MDL Number | MFCD09947360 |
| Molecular Formula | C7H8N2OS |
| Molecular Weight | 168.2162 |
| SMILES | COC1=C(C(N)=S)C=CC=N1 |
| Synonyms | 2-methoxypyridine-3-carbothioamide,
1016837-97-0,
AC1Q45B9,
ZINC19511450,
AKOS000194111,
NE30545,
EN300-68978,
Z2327071136,
2-Methoxypyridine-3-carbothioamide, 95% - 1G 1g,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.214g/mol |
| Monoisotopic Mass | 168.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number